3-[(3-chloranyl-5-methoxy-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid

Systemtic Name: 3-[(3-chloranyl-5-methoxy-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Openeye Name: 3-[(3-chloro-5-methoxy-4-octoxy-phenyl)methylamino]cyclopentane-1,1-dicarboxylic acid CAS Name: 3-[(3-chloro-5-methoxy-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid IUPAC Name: 3-[(3-chloro-5-methoxy-4-octoxyphenyl)methylamino]cyclopentane-1,1-dicarboxylic acid Traditional Name: 3-[(3-chloro-5-methoxy-4-octoxy-benzyl)amino]cyclopentane-1,1-dicarboxylic acid Formula: C23H34ClNO6 MolecularWeight: 455.97216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1Cl)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1Cl)CNC2CCC(C2)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C23H34ClNO6/c1-3-4-5-6-7-8-11-31-20-18(24)12-16(13-19(20)30-2)15-25-17-9-10-23(14-17,21(26)27)22(28)29/h12-13,17,25H,3-11,14-15H2,1-2H3,(H,26,27)(H,28,29)